N-(1-hexanoyl-5-nitro-2,1-benzothiazol-3-ylidene)hexanamide

Systemtic Name: N-(1-hexanoyl-5-nitro-2,1-benzothiazol-3-ylidene)hexanamide Openeye Name: N-(1-hexanoyl-5-nitro-2,1-benzothiazol-3-ylidene)hexanamide CAS Name: N-[5-nitro-1-(1-oxohexyl)-2,1-benzothiazol-3-ylidene]hexanamide IUPAC Name: N-(1-hexanoyl-5-nitro-2,1-benzothiazol-3-ylidene)hexanamide Traditional Name: N-(1-caproyl-5-nitro-2,1-benzothiazol-3-ylidene)hexanamide Formula: C19H25N3O4S MolecularWeight: 391.4845

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)N=C1C2=C(C=CC(=C2)[N+](=O)[O-])N(S1)C(=O)CCCCC

Isomeric SMILES

CCCCCC(=O)N=C1C2=C(C=CC(=C2)[N+](=O)[O-])N(S1)C(=O)CCCCC

InChI

InChI=1S/C19H25N3O4S/c1-3-5-7-9-17(23)20-19-15-13-14(22(25)26)11-12-16(15)21(27-19)18(24)10-8-6-4-2/h11-13H,3-10H2,1-2H3